4-oxodecanedioic acid

C10H16O5 — CID 1755

IUPAC4-oxodecanedioic acid
SMILESO=C(O)CCCCCC(=O)CCC(=O)O
InChIInChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
InChIKeyXTQIBFVBYWIHIP-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.46
Rot. Bonds9

About 4-oxodecanedioic acid

4-oxodecanedioic acid (PubChem CID 1755) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-oxodecanedioic acid.

Molecular Properties

Compound Name4-oxodecanedioic acid
PubChem CID1755
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-oxodecanedioic acid
SMILESO=C(O)CCCCCC(=O)CCC(=O)O
InChIInChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
InChIKeyXTQIBFVBYWIHIP-UHFFFAOYSA-N
XLogP1.46
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Azelaic Acid
CID 2266
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Dodecanedioic Acid
CID 12736
Tridecanoic acid
CID 12530
Succinylacetone
CID 5312
Suberic acid
CID 10457

Frequently Asked Questions

What is the IUPAC name of 4-oxodecanedioic acid?
The IUPAC name of 4-oxodecanedioic acid (CID 1755) is 4-oxodecanedioic acid.
What is the SMILES notation for 4-oxodecanedioic acid?
The canonical SMILES for 4-oxodecanedioic acid is O=C(O)CCCCCC(=O)CCC(=O)O.
What is the InChIKey of 4-oxodecanedioic acid?
The InChIKey is XTQIBFVBYWIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15).
What are the key properties of 4-oxodecanedioic acid?
4-oxodecanedioic acid has a molecular weight of 216.23 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxodecanedioic acid is sourced from PubChem (CID 1755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).